Basic information
- CAS
247220-87-7- Standard SMILES
Cc1[nH]nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1Cl- InChIKey
CNXPUJNLJOFGNG-UHFFFAOYSA-N- Molecular formula
- C9H4ClF11N2
- Average molar mass
- 384.57 g/mol
- Monoisotopic mass
- 383.9887356
Names & identifiers
- Preferred name
- 4-chloro-5-methyl-3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazole
- IUPAC
- 4-chloro-5-methyl-3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazole
- English name
- 4-Chloro-5(3)-methyl-3(5)-(perfluoropentyl)pyrazole
- Molecular formula
- C9H4ClF11N2
- Molecular weight
- 384.58
Names & synonyms
247220-87-74-chloro-5-methyl-3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazole4-Chloro-5-methyl-3-(perfluoropentyl)pyrazole4-Chloro-5(3)-methyl-3(5)-(perfluoropentyl)pyrazoleC9H4ClF11N24-Chloro-3-(undecafluoro-1-pentyl)-5-(methyl)pyrazoleDTXSID50371499MFCD00155730AKOS0252116914-chloro-5-methyl-3-(perfluoropentyl)-1H-pyrazole4-chloro-5-methyl-3-(undecafluoropentyl)-1H-pyrazole1H-Pyrazole, 4-chloro-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-
Database identifiers
- CAS
247220-87-7- PubChem CID
- 2736640
- DTXSID
DTXSID50371499
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 246.6 · 246.6±40.0 °C(Predicted)
- Density
- 1.653 · 1.653±0.06 g/cm3(Predicted)
- pka
- 9.81 · 9.81±0.50(Predicted)
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
Chemistry & industry
Suppliers3 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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